NNK

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Nicotine-derived nitrosone (NNK)

Names
Preferred IUPAC name Methyl[4-oxo-4-(pyridin-3-yl)butyl]nitrous amide
Other names N-Nitrosonornicotine ketone; 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone
Identifiers
CAS Number	64091-91-4 N
3D model (JSmol)	Interactive image
Beilstein Reference	3548355
ChEBI	CHEBI:32692 Y
ChEMBL	ChEMBL2311069 Y
ChemSpider	43038 N
ECHA InfoCard	100.164.147
KEGG	C16453 Y
PubChem CID	47289
UNII	7S395EDO61 Y
UN number	2811
CompTox Dashboard (EPA)	DTXSID3020881
InChI InChI=1S/C10H13N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8H,3,5,7H2,1H3 Key: FLAQQSHRLBFIEZ-UHFFFAOYSA-N
SMILES CN(CCCC(=O)c1cccnc1)N=O
Properties
Chemical formula	C10H13N3O2
Molar mass	207.233 g·mol−1
Hazards
GHS labelling:
Pictograms
Signal word	Danger
Hazard statements	H301, H302, H317, H351
Precautionary statements	P201, P202, P261, P264, P270, P272, P280, P281, P301+P310, P301+P312, P302+P352, P308+P313, P321, P330, P333+P313, P363, P405, P501
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). N verify (what is YN ?) Infobox references

Nicotine-derived nitrosamine ketone (NNK) is one of the key tobacco-specific nitrosamines derived from nicotine. It plays an important role in carcinogenesis.^[1] The conversion of nicotine to NNK entails opening of the pyrrolidine ring.